Please wait a moment until all data is loaded. This message will disappear when all data is loaded.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
(2E)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
-
substrate: LRLRGG 7-amido-4-methylcoumarin, mixed-type inhibition
(2E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
-
substrate: LRLRGG 7-amido-4-methylcoumarin, noncompetitive
(2E)-1-[2-hydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
-
substrate: LRLRGG 7-amido-4-methylcoumarin, noncompetitive
(2E)-1-[2-hydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
-
substrate: LRLRGG 7-amido-4-methylcoumarin, noncompetitive
(2E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
-
substrate: LRLRGG 7-amido-4-methylcoumarin, noncompetitive
(2E)-1-[3-(2-hydroperoxy-3-methylbut-3-en-1-yl)-2-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
-
substrate: LRLRGG 7-amido-4-methylcoumarin, noncompetitive
(2E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
-
substrate: LRLRGG-7-amido-4-methyl coumarin, noncompetitive
(2E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
-
substrate: LRLRGG 7-amido-4-methylcoumarin, noncompetitive
(2E)-1-[3-[(2E)-6,6-dimethoxy-3-methylhex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
-
substrate: LRLRGG 7-amido-4-methylcoumarin, noncompetitive
(9E)-9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
i.e. DUB-IN-3
-
(R)-4-amino-2-methyl-N-[1-(naphth-1-yl)ethyl]benzamide
-
-
(R)-5-(dimethylamino)-2-methyl-N-[1-(naphth-1-yl)ethyl]benzamide
-
-
(R)-5-amino-2-methyl-N-(1-(naphthalen-1-yl)ethyl)benzamide
-
i.e. GRL-0617. Inhibition of SCoV2-PLpro with GRL-0617 impairs the virus-induced cytopathogenic effect, fosters the anti-viral interferon pathway and reduces viral replication in infected cells. These results highlight a dual therapeutic strategy in which targeting of SCoV2-PLpro can suppress SARS-CoV-2 infection and promote anti-viral immunity
(R)-5-amino-2-methyl-N-[1-(naphth-1-yl)ethyl]benzamide
noncovalent active-site directed inhibitor. Bind into the S3 and S4 pockets of the enzyme (SARS-CoV PLpro)
-
(R)-N-((2-methoxypyridin-4-yl)methyl)-1-(1-(naphthalen-1-yl)ethyl)piperidine-4-carboxamide
-
EC50 value for inhibition of SARS-CoV in infected Vero E6 cells is 0.0095 mM
-
(R)-N-(3-(methylcarbamoyl)benzyl)-1-(1-(naphthalen-1-yl)-ethyl)piperidine-4-carboxamide
-
-
-
(R)-N-(3-acetamidobenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide
-
shows selectivity against several human deubiquitinating enzymes, EC50 value for inhibition of SARS-CoV in infected Vero E6 cells is 0.0083 mM
-
(R)-N-(3-fluorobenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide
-
shows selectivity against several human deubiquitinating enzymes, EC50 value for inhibition of SARS-CoV in infected Vero E6 cells is 0.0054 mM
-
(R)-N-(4-(methylcarbamoyl)benzyl)-1-(1-(naphthalen-1-yl)-ethyl)piperidine-4-carboxamide
-
-
-
(R)-N-(4-ethylbenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide
-
-
-
(R)-N-(4-fluorobenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide
-
shows selectivity against several human deubiquitinating enzymes, EC50 value for inhibition of SARS-CoV in infected Vero E6 cells is 0.00116 mM
-
(R)-tert-butyl(3-methyl-4-((1-(naphth-1-yl)ethyl)carbamoyl)phenyl)carbamate
-
-
(R)-tert-butyl(4-methyl-3-((1-(naphth-1-yl)ethyl)carbamoyl)phenyl)carbamate
-
-
1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-[(pyrazin-2-yl)methyl]-4,9-dihydro-1H-naphtho[2,3-d]imidazol-3-ium
-
i.e. YM15, cytotoxic
-
1-[(R)-1-(1-naphthyl)ethyl]-4-(2-methoxybenzylamino)carbonylpiperidine
-
EC50 value for inhibition of SARS-CoV replication in a cell-based assay is 0.0116 microM
-
1-[(R)-1-(1-naphthyl)ethyl]-4-(3-methoxybenzylamino)carbonylpiperidine
-
EC50 value for inhibition of SARS-CoV replication in a cell-based assay is 0.0097 microM
-
1-[(R)-1-(1-naphthyl)ethyl]-4-(4-methoxybenzylamino)carbonylpiperidine
-
EC50 value for inhibition of SARS-CoV replication in a cell-based assay is 0.0102 microM
-
1-[(R)-1-(1-naphthyl)ethyl]-4-[3,4-(methylenedioxy)benzylamino]carbonylpiperidine
-
EC50 value for inhibition of SARS-CoV replication in a cell-based assay is 0.0091 microM
-
1-[(S)-1-(1-naphthyl)ethyl]-4-[3,4-(methylenedioxy)benzylamino]carbonylpiperidine
-
EC50 value for inhibition of SARS-CoV replication in a cell-based assay is 0.0091 microM
-
1-[(S)-1-(2-naphthyl)ethyl]-4-(3-methoxybenzylamino)carbonylpiperidine
-
EC50 value for inhibition of SARS-CoV replication in a cell-based assay is above 0.025 microM
-
2,4-diacetylphloroglucinol
docking score -5.2 kcal/mol, interacts with residues GLU168, LYS158, LEU158, GLN270, ASP165, GLY164
2,6-dimethyl-N-[(1R)-1-(naphthalen-2-yl)ethyl]benzamide
-
-
-
2-(pyridin-3-yl)naphthalo(-2,3-d)oxazole-4,9-dione
i.e. SJB3-019 A
-
2-bromo-N-[(1R)-1-naphth-1-ylethyl]benzamide
-
-
2-chloro-N-[(1R)-1-(naphthalen-2-yl)ethyl]benzamide
-
-
-
2-chloro-N-[(1R)-1-naphth-1-ylethyl]benzamide
-
-
2-fluoro-N-[(1R)-1-naphth-1-ylethyl]benzamide
-
-
2-iodo-N-[(1R)-1-naphth-1-ylethyl]benzamide
-
-
2-methyl-4-[(methylsulfonyl)amino]-N-[(1R)-1-naphth-1-ylethyl]benzamide
-
-
2-methyl-5-(methylsulfamoyl)-N-[(1R)-1-naphth-1-ylethyl]benzamide
-
-
2-methyl-5-[(methylamino)methyl]-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
-
EC50 value for inhibitoion of SARS-CoV replication in a cell-based assay is 0.0052 microM
-
2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-nitrobenzamide
-
-
-
2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-[[1-(trifluoromethyl)piperidin-4-yl]amino]benzamide
compound can bind stably to the active site of PLpro, docking score -11.52 kcal/mol
-
2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
-
-
-
2-methyl-N-[(1R)-1-(naphthalen-2-yl)ethyl]benzamide
-
-
2-methyl-N-[(1R)-naphth-1-ylethyl]benzamide
-
-
2-methyl-N-[1-(2-naphthyl)ethyl]-benzamide
MN908947.3
-
2-phenylbenzo[f][1,3]benzoxazole-4,9-dione
i.e. SJB2-043
-
2-phenylnaphtho[2,3-d][1,3]oxazole-4,9-dione
-
i.e. SJB2-043, cytotoxic
-
3-amino-N-(naphthalene-1-yl)-5-(trifluoromethyl)benzamide
-
-
3-methoxy-N-[(1R)-1-(naphthalen-2-yl)ethyl]benzamide
-
-
-
3-methyl-N-[(1R)-1-(naphthalen-2-yl)ethyl]benzamide
-
-
-
3-methyl-N-[(1R)-1-naphth-1-ylethyl]thiophene-2-carboxamide
-
-
4'-O-methylochnaflavone
interacts with residues Lys157, Leu162, Arg166, Glu167, binding energy -105.2 kcal/mol
-
4,5,6,7-tetrachloro-1H-indene-1,3(2H)-dione
-
-
4,9-dimethoxy-7H-furo[3,2-g][1]benzopyran-7-one
-
deubiquitination activity, 0.2 mM, 80% inhibition
4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one
-
deubiquitination activity, 0.2 mM, 30% inhibition
4-methyl-N-[(1R)-1-(naphthalen-2-yl)ethyl]benzamide
-
-
-
4-methyl-N-[3-[([1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidine-4-carbonyl]amino)methyl]phenyl]piperazine-1-carboxamide
-
-
5-(((4-nitrophenoxy)carbonyl)amino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
-
-
5-(acetylamino)-2-methyl-N-[(1R)-1-(1-naphthanlenyl)ethyl]-benzamide
MN908947.3
-
5-(aminomethyl)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
-
EC50 value for inhibitoion of SARS-CoV replication in a cell-based assay is 0.006 microM
-
5-(butylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
-
-
5-acetamido-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
-
5-acrylamide-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
-
-
5-amino-2-(methoxymethyl)-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
-
-
-
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide pepide conjugate EC-C
-
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide pepide conjugate EC-M
-
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
-
5-amino-2-methyl-N-[(R)-1-(1-naphthyl)ethyl]benzamide
MN908947.3
-
5-amino-2-methyl-N-[2-(naphthalen-1-yl)propan-2-yl]benzamide
-
-
-
5-carbamylurea-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
-
-
5-cyano-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
-
-
-
5-iodo-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
-
-
-
5-N-tert-butoxycarbonylmethylamino-2-methyl-N'-[(R)-1-(1-naphthyl)ethyl]benzamide
-
-
5-pentanoylamino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
-
-
6-demethoxy-4'-O-capillarsine
binding free energy of -18.86 kcal/mol. The anisole moiety is directed into the first pocket of PLP forming one H-bond with Gln270, in addition to two hydrophobic interactions with Tyr269 and Asp165. The 5,7-dihydroxy-4H-chromen-4-one part occupies the second pocket of PLP forming a H-bond with Pro249 besides two hydrophobic bonds with the amino acids Pro248 and Pro249
-
6-Mercaptopurine
-
does not show cellular PLpro inhibition
6-thioguanine
-
does not show cellular PLpro inhibition
7H-furo[3,2-g][1]benzopyran-7-one
-
deubiquitination activity, 0.2 mM, 40% inhibition
8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid
-
-
-
9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one
-
deubiquitination activity, 0.2 mM, 30% inhibition
acacetin
interacts with residue Tyr264, binding energy -38.7 kcal/mol
aloin A
-
active ingredient in the oral mouth rinse products, hydrogen bonds with Tyr268 of PLpro, which is critical for their proteolytic activity, and has interactions with Glu167, which is required for PLpro deubiquitination activity. Aloin A also exhibits deubiquitination inhibitory activity
aloin B
-
active ingredient in the oral mouth rinse products, hydrogen bonds with Tyr268 of PLpro, which is critical for their proteolytic activity, and has interactions with Glu167, which is required for PLpro deubiquitination activity. Aloin B also exhibits deubiquitination inhibitory activity
-
apigenin
interacts with residues Ala246, Tyr264, binding energy -48.2 kcal/mol
benzyl [(2R)-4-[(5,8-dihydronaphthalene-1-carbonyl)amino]-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamate
compound can effectively occupy both the main protease Mpro protein cavity and the PLpro protein cavity and form high frequency contacts with key amino acid residues (Mpro: His41, Cys145, Glu166, PLpro: Cys111)
-
benzyl [(2S)-3-(naphthalen-1-yl)-1-oxo-1-[2-[(3S)-2-oxopyrrolidin-3-yl]acetamido]propan-2-yl]carbamate
compound can effectively occupy both the main protease Mpro protein cavity and the PLpro protein cavity and form high frequency contacts with key amino acid residues (Mpro: His41, Cys145, Glu166, PLpro: Cys111)
-
benzyl [1-([(1S)-1-cyano-2-[(1S)-2-oxocyclopentyl]ethyl]amino)-3-(naphthalen-1-yl)-1-oxopropan-2-yl]carbamate
compound can effectively occupy both the main protease Mpro protein cavity and the PLpro protein cavity and form high frequency contacts with key amino acid residues (Mpro: His41, Cys145, Glu166, PLpro: Cys111)
-
canthin-6-one 9-O-beta-glucopyranoside
results of the MD simulation and binding free energy calculations indicated that canthin-6-one 9-O-beta-glucopyranoside can be used as a potential natural drug against COVID-19 protease
-
chloroxine
directly interact with the enzyme
-
cryptomerin
interacts with residues Lys157, Glu161, Arg166, binding energy -87.9 kcal/mol
-
deoxyneocryptotanshinone
moderate effect on SARS-CoV-2 PLpro with binding affinity values of -6.1 kcal/mol
digoxin
docking energy -8.8 kcal/mol
dihydrotanshinone
binding affinity -7.3 kcal/mol, interacts with amino acid residues Ser180 and Cis181
dihydrotanshinone I
-
does not show cellular PLpro inhibition
DMSO
activity gradually decreased above 1.0% DMSO
ebselen
ebselen derivatives with an additional hydroxy or methoxy group are highly active inhibitors of the enzyme
epicriptine
antiparkinsonian agent, docking energy -10.3 kcal/mol, forms a salt bridge with Asp164 and forms cation-pi interaction with Tyr 268
-
ergometrine
docking energy -8.0 kcal/mol
-
ethyl 5-[3-[(1R)-1-[5-[(azetidin-3-yl)amino]-2-methylbenzamido]ethyl]phenyl]thiophene-2-carboxylate
compound can bind stably to the active site of PLpro, docking score -11.54 kcal/mol
-
gallocatechin gallate
binding affinity -8.8 kcal/mol, ligand induces conformational changes in the protein with decreased surface area and higher stability. Compound possess promising druglikeness properties
ginkgetin
interacts with residues Lys157, Leu162, Asp164, Arg166, Gly266, binding energy -117.2 kcal/mol
hinokiflavone
interacts with residues Lys157, Glu161, Asp164, Arg166, Gly266, binding energy -119.1 kcal/mol
hydroxychloroquine
-
using a combination of enhanced sampling molecular dynamics techniques and non-equilibrium alchemical transformations with full atomistic details, hydroxychloroquine is shown to act as a mild inhibitor
isoginkgetin
interacts with residues Lys157, Leu162, Asp164, Arg166, binding energy -123.5 kcal/mol
-
kazinol-A
good binding affinity
-
metergoline
docking energy -9.4 kcal/mol, forms a salt bridge with Asp164 and a hydrogen bond with Gln269 via carboxyl oxygen
morelloflavone
interacts with residue Arg166, binding energy -81.6 kcal/mol
-
N-(4-methoxybenzyl)-1-(1-naphthylmethyl)-4-piperidinecarboxamide
MN908947.3
-
N-([3-[(N,N-dimethylglycyl)amino]-5-fluorophenyl]methyl)-1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide
-
-
N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methyl-5-[(oxetan-3-yl)amino]benzamide
compound can bind stably to the active site of PLpro, docking score -11.43 kcal/mol
-
N-[(1R)-1-(9H-carbazol-3-yl)ethyl]-2-methyl-5-[(piperidin-4-yl)amino]benzamide
compound can bind stably to the active site of PLpro, docking score -11.4 kcal/mol
-
N-[(1R)-1-naphth-1-ylethyl]-2-(trifluormethyl)benzamide
-
-
N-[(1R)-1-naphth-1-ylethyl]benzamide
-
-
N-[(2-methoxypyridin-4-yl)methyl]-1-[1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide
i.e. rac5c, MD simulation confirms that rac5c can be bound stably inside the substrate-binding site of PLpro
-
N-[3-(diethylamino)propyl]-7-oxo-7H-dibenzo[de,g]quinoline-4-carboxamide
i.e. PR-619; i.e.S130
-
N-[3-fluoro-5-[(1E)-3-[1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidin-4-y]]-3-oxoprop-1-en-1-yl]phenyl}-4-methylpiperazine-1-carboxamide
-
-
podocarpusflavone
interacts with residues Lys157, Leu162, Glu167, Thr301, binding energy -66.2 kcal/mol
-
psoralidin
interacts with residue Tyr264, binding energy -55.8 kcal/mol
-
quercetin 3-O-arabinoside 7-O-rhamnoside
binding affinity -8.2 kcal/mol
-
remdesivir
binding affinity -5.8 kcal/mol, aditionally binds to viral protease 3CLpro
sciadopitysin
interacts with residues Lys157Lys157, Leu162, binding energy -113.4 kcal/mol
tanshinone
exhibits strong antiviral activities in cell-based assays
-
tanshinone A
binding affinity -7.2 kcal/mol, interacts with amino acid residues Ser180 and Cis181
-
tanshinone B
moderate effect on SARS-CoV-2 PLpro with binding affinity values of -6.1 kcal/mol
-
tanshinone C
binding affinity -7.1 kcal/mol, interacts with amino acid residues Ser180 and Cis181
-
tanshinone I
-
does not show cellular PLpro inhibition
tanshinone IIA
-
does not show cellular PLpro inhibition
tanshinone IIA sulfonate sodium
directly interact with the enzyme
-
tenuflorin C
binding energy of -18.37 kcal/mol. The 2-methoxyphenol part is directed into the first pocket of PLP with two H-bonds with the amino acids Gln270 and Leu163 and is engaged hydrophobically in two interactions with the amino acids Tyr269 and Asp165. The 5,7-dihydroxy-4H-chromen-4-one part occupies the second pocket of PLP forming two H-bonds with Tyr274 and Ala247
-
theaflavin-3,3-digallate
good binding affinity
5-acetamido-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
-
EC50 value for inhibition of SARS-CoV replication in a cell-based assay is 0.0145 microM
-
5-acetamido-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
-
-
-
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
-
EC50 value for inhibitoion of SARS-CoV replication in a cell-based assay is 0.0131 microM
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
-
i.e. GRL0617
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
i.e. GRL0617, binding free energy -67.06 kcal/mol. Most contacts between SARS-CoV PLpro and inhibitor GRL0617 are hydrophobic in nature. The 1-naphthyl group is partly solvent-exposed but forms hydrophobic interactions with the aromatic rings of Tyr265 and Tyr269 and with the side chains of Pro248 and Pro249
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
binding free enrgy -20.32 kcal/mol. The p-toluidine part occupies the first pocket of PLP forming one H-bond with Leu163. The same moiety is engaged in two hydrophobic interactions with the amino acids Asp165 and Tyr269. The amide linker forms two H-bonds with the amino acids Asp165 and Gln270. The naphthalene moiety is buried in the second pocket making five hydrophobic interactions with Pro249, Pro248, and Tyr269
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
i.e. GRL0617, docking energy -10.4 kcal/mol, forms a salt bridge with Asp164 and a hydrogen bond with Gln269 via carboxyl oxygen
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
i.e. GRL0617
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
i.e. GRL0617, binding free energy -63.12 kcal/mol. Most contacts between SARS-CoV-2 PLpro and inhibitor GRL0617 are hydrophobic in nature. The 1-naphthyl group is partly solvent-exposed but forms hydrophobic interactions with the aromatic rings of Tyr264 and Tyr268 and with the side chains of Pro248
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide pepide conjugate EC-C
-
peptide-drug conjugate, in which 5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide is linked to a sulfonium-tethered peptide derived from PLpro-specific substrate LRGG. The inhibitor can covalently label PLpro active site C111 and displays anti-ISGylation activities in cellular assays
-
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide pepide conjugate EC-C
peptide-drug conjugate, in which 5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide is linked to a sulfonium-tethered peptide derived from PLpro-specific substrate LRGG. The inhibitor can covalently label PLpro active site C111 and displays anti-ISGylation activities in cellular assays
-
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide pepide conjugate EC-M
-
peptide-drug conjugate, in which 5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide is linked to a sulfonium-tethered peptide derived from PLpro-specific substrate LRGG. The inhibitor can covalently label PLpro active site C111 and displays anti-ISGylation activities in cellular assays
-
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide pepide conjugate EC-M
peptide-drug conjugate, in which 5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide is linked to a sulfonium-tethered peptide derived from PLpro-specific substrate LRGG. The inhibitor can covalently label PLpro active site C111 and displays anti-ISGylation activities in cellular assays
-
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
i.e. GRL0617
-
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
-
-
amentoflavone
interacts with residues Lys157, Leu162, Arg166, Glu167, Asn267, Thr301, binding energy -129.6 kcal/mol
amentoflavone
binding affinity -8.8 kcal/mol, ligand induces conformational changes in the protein with decreased surface area and higher stability. Compound possess promising druglikeness properties
cryptotanshinone
exhibits strong antiviral activities in cell-based assays
cryptotanshinone
-
does not show cellular PLpro inhibition
Disulfiram
-
allosteric inhibition. Synergistic inhibition of the enzyme by disulfiram and 6-thioguanine or mycophenolic acid implies the potential for combination treatments using these three clinically available drugs
Disulfiram
slow-binding inhibition and the irrecoverability of enzyme activity after removing unbound disulfiram indicates covalent inactivation. Disulfiram may act at the active site of the enzyme, forming a covalent adduct with residue Cys112. Competitive (or mixed) inhibitor
flaviolin
binding energy -6.55 kcal/mol, binding free energy -32.66 kcal/mol, effective binding with Tyr269 for SARS-CoV PLpro has multiple types of interactions with amino acids and shows binding energy close to or at par with GRL0617
flaviolin
binding free energy -30.45 kcal/mol, effective binding with Tyr 268 for SARS-CoV-2 PLprohas multiple types of interactions with amino acids and shows binding energy close to or at par with GRL0617
fonsecin
binding energy -7.25 kcal/mol, binding free energy -54.22 kcal/mol, effective binding with Tyr269 for SARS-CoV PLpro has multiple types of interactions with amino acids and shows binding energy close to or at par with GRL0617
-
fonsecin
binding free energy -50.82 kcal/mol, effective binding with Tyr 268 for SARS-CoV-2 PLprohas multiple types of interactions with amino acids and shows binding energy close to or at par with GRL0617
-
GRL0617
-
inhibits SARS-CoV viral replication in Vero E6 cells with an EC50 of 15 micoM and has no associated cytotoxicity
-
GRL0617
structure-based screening based on the inhibitor GRL0617 to discover new inhibitors for papain-like proteinase of SARS-CoV-2. Rediscovery of analgesic, anti-inflammatory, antibacterial, or antiviral drugs as promising pharmaceutical candidates against SARS-CoV-2
-
GRL0617
exhibits strong antiviral activities in cell-based assays
-
nigerloxin
binding energy -6.62 kcal/mol, binding free energy -37.34 kcal/mol, effective binding with Tyr269 for SARS-CoVPL pro has multiple types of interactions with amino acids and shows binding energy close to or at par with GRL0617
-
nigerloxin
binding free energy -35.56 kcal/mol, effective binding with Tyr 268 for SARS-CoV-2 PLprohas multiple types of interactions with amino acids and shows binding energy close to or at par with GRL0617
-
ochratoxin beta
binding energy -6.03 kcal/mol, binding free energy -34.54 kcal/mol, effective binding with Tyr269 for SARS-CoV PLpro has multiple types of interactions with amino acids and shows binding energy close to or at par with GRL0617
-
ochratoxin beta
binding free energy -30.63 kcal/mol, effective binding with Tyr 268 for SARS-CoV-2 PLprohas multiple types of interactions with amino acids and shows binding energy close to or at par with GRL0617
-
pyranonigrin-B
binding energy -6.76 kcal/mol, binding free energy -24.64 kcal/mol, effective binding with Tyr269 for SARS-CoVPL pro has multiple types of interactions with amino acids and shows binding energy close to or at par with GRL0617
-
pyranonigrin-B
binding free energy -26.43 kcal/mol, effective binding with Tyr 268 for SARS-CoV-2 PLprohas multiple types of interactions with amino acids and shows binding energy close to or at par with GRL0617
-
tensidol A
binding energy -6.34 kcal/mol, binding free energy -29.32 kcal/mol, effective binding with Tyr269 for SARS-CoV PLpro has multiple types of interactions with amino acids and shows binding energy close to or at par with GRL0617
-
tensidol A
binding free energy -28.21 kcal/mol, effective binding with Tyr 268 for SARS-CoV-2 PLprohas multiple types of interactions with amino acids and shows binding energy close to or at par with GRL0617
-
YM155
exhibits strong antiviral activities in cell-based assays. YM155 simultaneously targets three hotspots on PLpro, including the substrate-binding pocket, the interferon stimulating gene product 15 (ISG15) binding site and zinc finger motif
-
additional information
MN908947.3
naphthalene PLpro inhibitors designed for SARS-CoV can inhibit SARSCoV-2 PLpro as well as impede SARS-CoV-2 replication
-
additional information
-
naphthalene PLpro inhibitors designed for SARS-CoV can inhibit SARSCoV-2 PLpro as well as impede SARS-CoV-2 replication
-
additional information
-
discovery of potential drugs by computational methods. Screening results show that a series of anti-virus drugs (ribavirin, valganciclovir and thymidine), anti-bacterial drugs (chloramphenicol, cefamandole and tigecycline), muscle relaxant drug (chlorphenesin carbamate), anti-tussive drug (levodropropizine) may have high binding affinity to PLpro. The natural products, such as platycodin D from Platycodon grandiflorus, baicalin from Scutellaria baicalensis, sugetriol-3,9-diacetate from Cyperus rotundus, phaitanthrin D and 2,2-di (3-indolyl)-3-indolone from Isatis indigotica, catechin compounds ((e)-epigallocatechin gallate and 2-(3,4-dihydroxyphenyl)-2-[[2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl]oxy]-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol) exhibit high binding affinity to PLpro protein, suggesting the potential utility of these compounds in the treatment of SARS-CoV-2. Anti-viral drug ribavirin is predicted to bind to PLpro with low binding energy. From generated docking model, ribavirin is bound in the active site of the enzyme as reported SARS-PLpro inhibitors. Hydrogen bonds are predicted between Gly164, Gln270, Tyr274, Asp303 and the compound. The strong hydrogen bonding and hydrophobic interaction between ribavirin with the enzyme imply it may be a potent PLpro inhibitor
-
additional information
-
the inhibitory prospects of 23 cyanobacterial metabolites that have been considered as promising drug targets is explored. The analysis reveales that the metabolites cylindrospermopsin, deoxycylindrospermopsin, carrageenan, cryptophycin 52, eucapsitrione, tjipanazole, tolyporphin and apratoxin A exhibit promising inhibitory potential against SARS-CoV-2 Mpro based on the binding energy scores of the interactions. The compounds cryptophycin 1, cryptophycin 52 and deoxycylindrospermopsin display significant inhibitory prospects against the enzyme PLpro of SARS-CoV-2, as evident from the binding energies. Subsequent analysis of physicochemical features, potential toxicity, molecular dynamics simulations and molecular mechanics-Poisson-Boltzmann surface area (MMPBSA) energy scoring function establish deoxycylindrospermopsin as the most promising common inhibitory candidate against the enzyme
-
additional information
-
scedapin C, quinadoline B and norquinadoline A, isochaetochromin D1, 11alpha-dehydroxyisoterreulactone A exhibit high binding affinities on papain-like protease. Molecular dynamics simulation and subsequent total free energy calculation reveal that the complexes formed between the ligands and their respective protein targets are dynamically stable with high total free energy of binding. Therefore, these compounds can be utilized as templates or prototypes for further development of multitargeting ligands against SARS-CoV2
-
additional information
-
the binding of SARS-CoV covalent non-covalent inhibitors to the SARS-CoV-2 papain-like protease and ovarian tumor domain deubiquitinases (OTUB1 and OTUB2) is studied
-
additional information
occupying the S3-S4 subsites on the SARS-CoV-2 PLpro with small molecule ligands can potentially inhibit the protease, deubiquitinating and deISGylating activities of the enzyme (PLpro). Molecular docking is used to investigate the binding properties of a selection of dietary compounds and naphthalene-based inhibitors to the binding site of GRL-0617. The structures of the SARS-CoV-2 and SARS-CoV PLpro in complex with interferon-stimulated gene 15 (ISG15) and lysine 48 (K48)-linked diubiquitin are utilised. To predict whether compounds could potentially interfere with the binding of these cellular modifiers, docking is conducted in the absence and presence of ISG15 and K48-linked diubiquitin
-
additional information
-
occupying the S3-S4 subsites on the SARS-CoV-2 PLpro with small molecule ligands can potentially inhibit the protease, deubiquitinating and deISGylating activities of the enzyme (PLpro). Molecular docking is used to investigate the binding properties of a selection of dietary compounds and naphthalene-based inhibitors to the binding site of GRL-0617. The structures of the SARS-CoV-2 and SARS-CoV PLpro in complex with interferon-stimulated gene 15 (ISG15) and lysine 48 (K48)-linked diubiquitin are utilised. To predict whether compounds could potentially interfere with the binding of these cellular modifiers, docking is conducted in the absence and presence of ISG15 and K48-linked diubiquitin
-
additional information
in silico high-throughput screening of all FDA-approved drugs via the flexible docking simulation for potential inhibitors of PLpro
-
additional information
comprehensive understanding on the structure and function of SARS-CoV-2 proteases is essential to serve as platform for the discovery of promising inhibitors. Among many natural compounds, microorganism-based compounds are reported to exhibit inhibitory properties toward SARS-CoV-20s proteases. As the microorganisms are relatively easily cultivated and harnessed to get the compounds, the use of microorganism-based compounds to target SARS-CoV-2 proteases is therefore advantageous. Comparison with the HIV protease inhibitors indicates that microbial-based compounds have better inhibition properties against the SARS-CoV-2 protease
-
additional information
in silico molecular dynamics simulation study on the inhibitors of SARS-CoV-2 proteases (3CLpro and PLpro) to combat COVID-19
-
additional information
discovery, antiviral evaluation, structure-activity relationship elucidation and molecular docking; inhibitors of PLpro are discovered by investigating the national compound library of traditional Chinese medicines, a phytochemical library comprising over 9000 TCM-derived compounds. Through virtual screening and enzymatic evaluations, nine natural biflavones are confirmed to be effective PLpro inhibitors with IC50 values ranging from 0.0095 to 0.0432 mM. Pro-ISG15 cleavage assays demonstrate that several biflavones exhibit potent inhibitory effects against PLpro-mediated deISGylation, a key process involved in viral immune evasion. The discovery, antiviral evaluation, structure-activity relationship elucidation and molecular docking investigation of biflavones as potent inhibitors of SARS-CoV-2 PLpro is reported; investigation of biflavones as potent inhibitors of SARS-CoV-2 PLpro
-
additional information
over 6000 compounds are screened that included approved drugs, drug candidates in clinical trials, and pharmacologically active compounds to identify leads that target the SARS-CoV-2 papain-like protease (PLpro)
-
additional information
-
over 6000 compounds are screened that included approved drugs, drug candidates in clinical trials, and pharmacologically active compounds to identify leads that target the SARS-CoV-2 papain-like protease (PLpro)
-
additional information
-
all compounds tested either did not show binding or lead to denaturation of PLpro in the thermal shift binding assay. None of the compounds shows cellular PLpro inhibition
-
additional information
identification of quercetin derivatives as inhibitors based on molecular docking and dynamics simulation studies
-
additional information
-
analysis of naphthyl derivatives as inhibitors using molecular docking and molecular dynamics simulations. The presence of 1-naphthyl head modulates the interactions at the active site residues. The presence of a piperidine moiety is important for binding interaction. The stereo-chemical pattern of the methyl substituent at R3 position is a critical factor to modulate PLpro binding affinity. The unsubstituted R4 position is more favourable for PLpro inhibition. The amino function at the linker area is important to form hydrogen bond interaction with PLpro active site residues. Presence of p-NH2 alone at the R2 position might hamper the binding with the PLpro enzyme
-
additional information
-
not inhibitory: chlorhexidine, eucalyptol, hexetidine, menthol, triclosan, methyl salicylate, sodium fluoride and povidone
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
0.0109 - 0.016
(2E)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
0.0079 - 0.0174
(2E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
0.0082 - 0.0193
(2E)-1-[2-hydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
0.0102 - 0.0464
(2E)-1-[2-hydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
0.0092 - 0.026
(2E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
0.0012 - 0.0052
(2E)-1-[3-(2-hydroperoxy-3-methylbut-3-en-1-yl)-2-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
0.0061 - 0.0117
(2E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
0.0011 - 0.0056
(2E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
0.0113 - 0.0302
(2E)-1-[3-[(2E)-6,6-dimethoxy-3-methylhex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
0.0125
(9E)-9-prop-2-enoxyiminoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
Severe acute respiratory syndrome coronavirus 2
pH 8.5, 37°C
-
0.00035
(R)-N-((2-methoxypyridin-4-yl)methyl)-1-(1-(naphthalen-1-yl)ethyl)piperidine-4-carboxamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, 25°C
-
0.00063
(R)-N-(3-(methylcarbamoyl)benzyl)-1-(1-(naphthalen-1-yl)-ethyl)piperidine-4-carboxamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, 25°C
-
0.00039
(R)-N-(3-acetamidobenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, 25°C
-
0.00015
(R)-N-(3-fluorobenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, 25°C
-
0.0006
(R)-N-(4-(methylcarbamoyl)benzyl)-1-(1-(naphthalen-1-yl)-ethyl)piperidine-4-carboxamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, 25°C
-
0.00047
(R)-N-(4-ethylbenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, 25°C
-
0.00049
(R)-N-(4-fluorobenzyl)-1-(1-(naphthalen-1-yl)ethyl)-piperidine-4-carboxamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, 25°C
-
0.00121
1-[(R)-1-(1-naphthyl)ethyl]-4-(2-methoxybenzylamino)carbonylpiperidine
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.00034
1-[(R)-1-(1-naphthyl)ethyl]-4-(3-methoxybenzylamino)carbonylpiperidine, 1-[(R)-1-(1-naphthyl)ethyl]-4-(4-methoxybenzylamino)carbonylpiperidine
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.00032
1-[(R)-1-(1-naphthyl)ethyl]-4-[3,4-(methylenedioxy)benzylamino]carbonylpiperidine
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.00056
1-[(S)-1-(1-naphthyl)ethyl]-4-[3,4-(methylenedioxy)benzylamino]carbonylpiperidine
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.0058
1-[(S)-1-(2-naphthyl)ethyl]-4-(3-methoxybenzylamino)carbonylpiperidine
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.0121
2,6-dimethyl-N-[(1R)-1-(naphthalen-2-yl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.0145
2-chloro-N-[(1R)-1-(naphthalen-2-yl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH not specified in the publication, temperature not specified in the publication
-
0.0013
2-methyl-5-[(methylamino)methyl]-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.0073
2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-nitrobenzamide
severe acute respiratory syndrome coronavirus
-
pH not specified in the publication, temperature not specified in the publication
-
0.0008
2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-[[1-(trifluoromethyl)piperidin-4-yl]amino]benzamide
Severe acute respiratory syndrome coronavirus 2
pH 7.3, 25°C
-
0.0023
2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
-
0.0087
2-methyl-N-[(1R)-1-(naphthalen-2-yl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH not specified in the publication, temperature not specified in the publication
0.0235
2-methyl-N-[1-(2-naphthyl)ethyl]-benzamide
Severe acute respiratory syndrome coronavirus 2
MN908947.3
pH 7.4, 37°C
0.00056 - 0.00815
2-phenylbenzo[f][1,3]benzoxazole-4,9-dione
-
0.043
3-amino-N-(naphthalene-1-yl)-5-(trifluoromethyl)benzamide
Severe acute respiratory syndrome coronavirus 2
pH 7.3, 25°C
-
0.0135
3-methoxy-N-[(1R)-1-(naphthalen-2-yl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.0148
3-methyl-N-[(1R)-1-(naphthalen-2-yl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.0228
4'-O-methylochnaflavone
-
0.00642
4,5,6,7-tetrachloro-1H-indene-1,3(2H)-dione
Severe acute respiratory syndrome coronavirus 2
pH 8.5, 37°C
-
0.0291
4-methyl-N-[(1R)-1-(naphthalen-2-yl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.00082
4-methyl-N-[3-[([1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidine-4-carbonyl]amino)methyl]phenyl]piperazine-1-carboxamide
Severe acute respiratory syndrome coronavirus 2
21 mM Tris-HCl, 100 mM NaCl, 5 mM 2-hydroxy-1-ethanethiol, pH 7.8, 22°C, synthetic substrate 7-hydroxy-4-methylcoumarin-3-acetyl-RLRGG-NH(CH2)4NH-DABCYL
-
0.007
5-(((4-nitrophenoxy)carbonyl)amino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
Severe acute respiratory syndrome coronavirus 2
pH 7.3, 25°C
-
0.005
5-(acetylamino)-2-methyl-N-[(1R)-1-(1-naphthanlenyl)ethyl]-benzamide
Severe acute respiratory syndrome coronavirus 2
MN908947.3
pH 7.4, 37°C
0.00046
5-(aminomethyl)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.0168
5-(butylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
Severe acute respiratory syndrome coronavirus 2
pH 7.3, 25°C
-
0.00056 - 0.0026
5-acetamido-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
-
0.064
5-acrylamide-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
Severe acute respiratory syndrome coronavirus 2
pH 7.3, 25°C
-
0.0027
5-amino-2-(methoxymethyl)-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.00264
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
0.00343 - 0.0074
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide pepide conjugate EC-C
-
0.00863 - 0.0164
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide pepide conjugate EC-M
-
0.00137 - 0.0023
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
-
0.0024
5-amino-2-methyl-N-[(R)-1-(1-naphthyl)ethyl]benzamide
Severe acute respiratory syndrome coronavirus 2
MN908947.3
pH 7.4, 37°C
0.0111
5-amino-2-methyl-N-[2-(naphthalen-1-yl)propan-2-yl]benzamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.0051
5-carbamylurea-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
Severe acute respiratory syndrome coronavirus 2
pH 7.3, 25°C
-
0.0052
5-cyano-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.0014
5-iodo-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.0048
5-N-tert-butoxycarbonylmethylamino-2-methyl-N'-[(R)-1-(1-naphthyl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
0.0127
5-pentanoylamino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
Severe acute respiratory syndrome coronavirus 2
pH 7.3, 25°C
-
0.0592
8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.0132
aloin A
Severe acute respiratory syndrome coronavirus 2
-
25°C, pH not specified in the publication
0.0161
aloin B
Severe acute respiratory syndrome coronavirus 2
-
25°C, pH not specified in the publication
-
0.00724
chloroxine
Severe acute respiratory syndrome coronavirus 2
pH 7.5, 25°C, directly interact with the enzyme
-
0.0263
cryptomerin
Severe acute respiratory syndrome coronavirus 2
pH 8, 37°C
-
0.0263
cryptomerin B
Severe acute respiratory syndrome coronavirus 2
pH 8.0, 37°C
-
0.00563 - 0.0524
cryptotanshinone
0.033
dihydrotanshinone I
Severe acute respiratory syndrome coronavirus 2
-
pH 7.5, 30°C
0.0044 - 0.227
Disulfiram
0.0006
ethyl 5-[3-[(1R)-1-[5-[(azetidin-3-yl)amino]-2-methylbenzamido]ethyl]phenyl]thiophene-2-carboxylate
Severe acute respiratory syndrome coronavirus 2
pH 7.3, 25°C
-
0.0006 - 0.00166
GRL0617
-
0.1007
N-(4-methoxybenzyl)-1-(1-naphthylmethyl)-4-piperidinecarboxamide
Severe acute respiratory syndrome coronavirus 2
MN908947.3
pH 7.4, 37°C
0.0008
N-([3-[(N,N-dimethylglycyl)amino]-5-fluorophenyl]methyl)-1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide
Severe acute respiratory syndrome coronavirus 2
22 mM Tris-HCl, 100 mM NaCl, 5 mM 2-hydroxy-1-ethanethiol, pH 7.8, 22°C, synthetic substrate 7-hydroxy-4-methylcoumarin-3-acetyl-RLRGG-NH(CH2)4NH-DABCYL
-
0.0021
N-[(1R)-1-(1-benzothiophen-3-yl)ethyl]-2-methyl-5-[(oxetan-3-yl)amino]benzamide
Severe acute respiratory syndrome coronavirus 2
pH 7.3, 25°C
-
0.0024
N-[(1R)-1-(9H-carbazol-3-yl)ethyl]-2-methyl-5-[(piperidin-4-yl)amino]benzamide
Severe acute respiratory syndrome coronavirus 2
pH 7.3, 25°C
-
0.0061 - 0.035
N-[3-(diethylamino)propyl]-7-oxo-7H-dibenzo[de,g]quinoline-4-carboxamide
-
0.00044
N-[3-fluoro-5-[(1E)-3-[1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidin-4-y]]-3-oxoprop-1-en-1-yl]phenyl}-4-methylpiperazine-1-carboxamide
Severe acute respiratory syndrome coronavirus 2
20 mM Tris-HCl, 100 mM NaCl, 5 mM 2-hydroxy-1-ethanethiol, pH 7.8, 22°C, synthetic substrate 7-hydroxy-4-methylcoumarin-3-acetyl-RLRGG-NH(CH2)4NH-DABCYL
-
0.0432
podocarpusflavone
Severe acute respiratory syndrome coronavirus 2
pH 8, 37°C
-
0.0432
podocarpusflavone A
Severe acute respiratory syndrome coronavirus 2
pH 8.0, 37°C
-
0.00153 - 0.00221
tanshinone
-
0.0186
tanshinone I
Severe acute respiratory syndrome coronavirus 2
-
pH 7.5, 30°C
0.0153
tanshinone IIA
Severe acute respiratory syndrome coronavirus 2
-
pH 7.5, 30°C
0.00165
tanshinone IIA sulfonate sodium
Severe acute respiratory syndrome coronavirus 2
pH 7.5, 25°C, directly interact with the enzyme
-
0.0109
(2E)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
DeISGylation activity, pH 6.8, 37°C
0.013
(2E)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
substrate: LRLRGG 7-amido-4-methylcoumarin, pH 6.8, 37°C
0.016
(2E)-1-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
deubiquitination activity, pH 6.8, 37°C
0.0079
(2E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
DeISGylation activity, pH 6.8, 37°C
0.0117
(2E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
substrate: LRLRGG 7-amido-4-methylcoumarin, pH 6.8, 37°C
0.0174
(2E)-1-[2,4-dihydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
deubiquitination activity, pH 6.8, 37°C
0.0082
(2E)-1-[2-hydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
DeISGylation activity, pH 6.8, 37°C
0.0131
(2E)-1-[2-hydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
deubiquitination activity, pH 6.8, 37°C
0.0193
(2E)-1-[2-hydroxy-3-(2-hydroxy-3-methylbut-3-en-1-yl)-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
substrate: LRLRGG 7-amido-4-methylcoumarin, pH 6.8, 37°C
0.0102
(2E)-1-[2-hydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
DeISGylation activity, pH 6.8, 37°C
0.0441
(2E)-1-[2-hydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
deubiquitination activity, pH 6.8, 37°C
0.0464
(2E)-1-[2-hydroxy-3-[(2E)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
substrate: LRLRGG 7-amido-4-methylcoumarin, pH 6.8, 37°C
0.0092
(2E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
DeISGylation activity, pH 6.8, 37°C
0.0154
(2E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
deubiquitination activity, pH 6.8, 37°C
0.026
(2E)-1-[2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
substrate: LRLRGG 7-amido-4-methylcoumarin, pH 6.8, 37°C
0.0012
(2E)-1-[3-(2-hydroperoxy-3-methylbut-3-en-1-yl)-2-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
substrate: LRLRGG 7-amido-4-methylcoumarin, pH 6.8, 37°C
0.0026
(2E)-1-[3-(2-hydroperoxy-3-methylbut-3-en-1-yl)-2-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
deubiquitination activity, pH 6.8, 37°C
0.0052
(2E)-1-[3-(2-hydroperoxy-3-methylbut-3-en-1-yl)-2-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
DeISGylation activity, pH 6.8, 37°C
0.0061
(2E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
DeISGylation activity, pH 6.8, 37°C
0.0102
(2E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
deubiquitination activity, pH 6.8, 37°C
0.0117
(2E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
substrate: LRLRGG 7-amido-4-methylcoumarin, pH 6.8, 37°C
0.0011
(2E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
DeISGylation activity, pH 6.8, 37°C
0.0049
(2E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
deubiquitination activity, pH 6.8, 37°C
0.0056
(2E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2-hydroxy-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
substrate: LRLRGG 7-amido-4-methylcoumarin, pH 6.8, 37°C
0.0113
(2E)-1-[3-[(2E)-6,6-dimethoxy-3-methylhex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
DeISGylation activity, pH 6.8, 37°C
0.0211
(2E)-1-[3-[(2E)-6,6-dimethoxy-3-methylhex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
substrate: LRLRGG 7-amido-4-methylcoumarin, pH 6.8, 37°C
0.0302
(2E)-1-[3-[(2E)-6,6-dimethoxy-3-methylhex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Severe acute respiratory syndrome-related coronavirus
-
deubiquitination activity, pH 6.8, 37°C
0.0023
2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.0023
2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH not specified in the publication, temperature not specified in the publication
-
0.00056
2-phenylbenzo[f][1,3]benzoxazole-4,9-dione
Severe acute respiratory syndrome coronavirus 2
pH 8.5, 37°C
-
0.00815
2-phenylbenzo[f][1,3]benzoxazole-4,9-dione
Severe acute respiratory syndrome coronavirus 2
pH 8.5, 37°C
-
0.0228
4'-O-methylochnaflavone
Severe acute respiratory syndrome coronavirus 2
pH 8.0, 37°C
-
0.0228
4'-O-methylochnaflavone
Severe acute respiratory syndrome coronavirus 2
pH 8, 37°C
-
0.00056
5-acetamido-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH 7.5, temperature not specified in the publication
-
0.0026
5-acetamido-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
severe acute respiratory syndrome coronavirus
-
pH not specified in the publication, temperature not specified in the publication
-
0.00343
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide pepide conjugate EC-C
severe acute respiratory syndrome coronavirus
-
pH 7.4, 37°C
-
0.0074
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide pepide conjugate EC-C
Severe acute respiratory syndrome coronavirus 2
pH 7.4, 37°C
-
0.00863
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide pepide conjugate EC-M
Severe acute respiratory syndrome coronavirus 2
pH 7.4, 37°C
-
0.0164
5-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide pepide conjugate EC-M
severe acute respiratory syndrome coronavirus
-
pH 7.4, 37°C
-
0.00137
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
Severe acute respiratory syndrome coronavirus 2
pH 8.5, 37°C
-
0.0023
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
Severe acute respiratory syndrome coronavirus 2
pH 7.3, 25°C
-
0.0912
acacetin
Severe acute respiratory syndrome coronavirus 2
pH 8.0, 37°C
0.0912
acacetin
Severe acute respiratory syndrome coronavirus 2
pH 8, 37°C
0.013
amentoflavone
Severe acute respiratory syndrome coronavirus 2
pH 8.0, 37°C
0.013
amentoflavone
Severe acute respiratory syndrome coronavirus 2
pH 8, 37°C
0.0757
apigenin
Severe acute respiratory syndrome coronavirus 2
pH 8.0, 37°C
0.0757
apigenin
Severe acute respiratory syndrome coronavirus 2
pH 8, 37°C
0.00563
cryptotanshinone
Severe acute respiratory syndrome coronavirus 2
pH 7.5, temperature not specified in the publication, without Triton X-100
0.00599
cryptotanshinone
Severe acute respiratory syndrome coronavirus 2
pH 7.5, temperature not specified in the publication, 0.01% (v/v) Triton X-100
0.0524
cryptotanshinone
Severe acute respiratory syndrome coronavirus 2
-
pH 7.5, 30°C
0.0044
Disulfiram
Middle East respiratory syndrome-related coronavirus
-
pH 6.5, 30°C, with 0.015 mM 6-thioguanine and 0.15 mycophenolic acid, wild-type enzyme
0.0142
Disulfiram
Severe acute respiratory syndrome-related coronavirus
pH 6.5, 30°C, wild-type enzyme
0.0181
Disulfiram
Severe acute respiratory syndrome-related coronavirus
pH 6.5, 30°C, with 0.004 mM N-ethylmaleimide, wild-type enzyme
0.0218
Disulfiram
Severe acute respiratory syndrome-related coronavirus
pH 6.5, 30°C, with 0.015 mM 6-thioguanine, wild-type enzyme
0.0627
Disulfiram
Severe acute respiratory syndrome-related coronavirus
pH 6.5, 30°C, mutant enzyme C271A
0.137
Disulfiram
Middle East respiratory syndrome-related coronavirus
-
pH 6.5, 30°C, with 0.01 mM 6-thioguanine and 0.1 mycophenolic acid, wild-type enzyme
0.145
Disulfiram
Middle East respiratory syndrome-related coronavirus
-
pH 6.5, 30°C, with 0.015 mM 6-thioguanine, wild-type enzyme
0.217
Disulfiram
Middle East respiratory syndrome-related coronavirus
-
pH 6.5, 30°C, with 0.15 mycophenolic acid, wild-type enzyme
0.227
Disulfiram
Middle East respiratory syndrome-related coronavirus
-
pH 6.5, 30°C, wild-type enzyme
0.0298
ginkgetin
Severe acute respiratory syndrome coronavirus 2
pH 8.0, 37°C
0.0298
ginkgetin
Severe acute respiratory syndrome coronavirus 2
pH 8, 37°C
0.0006
GRL0617
severe acute respiratory syndrome coronavirus
-
pH not specified in the publication, temperature not specified in the publication
-
0.00139
GRL0617
Severe acute respiratory syndrome coronavirus 2
pH 7.5, temperature not specified in the publication, without Triton X-100
-
0.00166
GRL0617
Severe acute respiratory syndrome coronavirus 2
pH 7.5, temperature not specified in the publication, 0.01% (v/v) Triton X-100
-
0.0095
hinokiflavone
Severe acute respiratory syndrome coronavirus 2
pH 8.0, 37°C
0.0095
hinokiflavone
Severe acute respiratory syndrome coronavirus 2
pH 8, 37°C
0.0312
isoginkgetin
Severe acute respiratory syndrome coronavirus 2
pH 8.0, 37°C
-
0.0312
isoginkgetin
Severe acute respiratory syndrome coronavirus 2
pH 8, 37°C
-
0.0364
morelloflavone
Severe acute respiratory syndrome coronavirus 2
pH 8.0, 37°C
-
0.0364
morelloflavone
Severe acute respiratory syndrome coronavirus 2
pH 8, 37°C
-
0.0061
N-[3-(diethylamino)propyl]-7-oxo-7H-dibenzo[de,g]quinoline-4-carboxamide
Severe acute respiratory syndrome coronavirus 2
pH 8.5, 37°C
-
0.035
N-[3-(diethylamino)propyl]-7-oxo-7H-dibenzo[de,g]quinoline-4-carboxamide
Severe acute respiratory syndrome coronavirus 2
pH 8.5, 37°C
-
0.0278
psoralidin
Severe acute respiratory syndrome coronavirus 2
pH 8.0, 37°C
-
0.0278
psoralidin
Severe acute respiratory syndrome coronavirus 2
pH 8, 37°C
-
0.0348
sciadopitysin
Severe acute respiratory syndrome coronavirus 2
pH 8.0, 37°C
0.0348
sciadopitysin
Severe acute respiratory syndrome coronavirus 2
pH 8, 37°C
0.00153
tanshinone
Severe acute respiratory syndrome coronavirus 2
pH 7.5, temperature not specified in the publication, 0.01% (v/v) Triton X-100
-
0.00221
tanshinone
Severe acute respiratory syndrome coronavirus 2
pH 7.5, temperature not specified in the publication, without Triton X-100
-
0.00183
YM155
Severe acute respiratory syndrome coronavirus 2
pH 7.5, temperature not specified in the publication, 0.01% (v/v) Triton X-100
-
0.00247
YM155
Severe acute respiratory syndrome coronavirus 2
pH 7.5, temperature not specified in the publication, without Triton X-100
-
0.0202
YM155
Severe acute respiratory syndrome coronavirus 2
-
pH 7.5, 30°C
-
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Please wait a moment until the data is sorted. This message will disappear when the data is sorted.
Niemeyer, D.; Moesbauer, K.; Klein, E.; Sieberg, A.; Mettelman, R.; Mielech, A.; Dijkman, R.; Baker, S.; Drosten, C.; Mueller, M.
The papain-like protease determines a virulence trait that varies among members of the SARS-coronavirus species
PLoS Pathog.
14
e1007296
2018
Severe acute respiratory syndrome-related coronavirus
brenda
Li, S.; Wang, C.; Jou, Y.; Yang, T.; Huang, S.; Wan, L.; Lin, Y.; Lin, C.
SARS coronavirus papain-like protease induces Egr-1-dependent up-regulation of TGF-beta via ROS/p38 MAPK/STAT3 pathway
Sci. Rep.
6
25754
2016
Severe acute respiratory syndrome-related coronavirus
brenda
Malik, A.; Alsenaidy, M.A.
MERS-CoV papain-like protease (PLpro) expression, purification, and spectroscopic/thermodynamic characterization
3 Biotech
7
100
2017
Middle East respiratory syndrome-related coronavirus (JX869059), Middle East respiratory syndrome-related coronavirus
brenda
Freitas, B.T.; Durie, I.A.; Murray, J.; Longo, J.E.; Miller, H.C.; Crich, D.; Hogan, R.J.; Tripp, R.A.; Pegan, S.D.
Characterization and noncovalent inhibition of the deubiquitinase and deISGylase activity of SARS-CoV-2 papain-like protease
ACS Infect. Dis.
6
2099-2109
2020
Severe acute respiratory syndrome coronavirus 2 (MN908947.3), Severe acute respiratory syndrome coronavirus 2
brenda
Wu, C.; Liu, Y.; Yang, Y.; Zhang, P.; Zhong, W.; Wang, Y.; Wang, Q.; Xu, Y.; Li, M.; Li, X.; Zheng, M.; Chen, L.; Li, H.
Analysis of therapeutic targets for SARS-CoV-2 and discovery of potential drugs by computational methods
Acta Pharm. Sin. B
10
766-788
2020
Severe acute respiratory syndrome coronavirus 2
brenda
Lin, M.H.; Moses, D.C.; Hsieh, C.H.; Cheng, S.C.; Chen, Y.H.; Sun, C.Y.; Chou, C.Y.
Disulfiram can inhibit MERS and SARS coronavirus papain-like proteases via different modes
Antiviral Res.
150
155-163
2018
Middle East respiratory syndrome-related coronavirus, Severe acute respiratory syndrome-related coronavirus (P0C6X7)
brenda
Procacci, P.; Macchiagodena, M.; Pagliai, M.; Guarnieri, G.; Iannone, F.
Interaction of hydroxychloroquine with SARS-CoV2 functional proteins using all-atoms non-equilibrium alchemical simulations
Chem. Commun. (Camb.)
56
8854-8856
2020
Severe acute respiratory syndrome coronavirus 2
brenda
Li, S.W.; Wang, C.Y.; Jou, Y.J.; Huang, S.H.; Hsiao, L.H.; Wan, L.; Lin, Y.J.; Kung, S.H.; Lin, C.W.
SARS coronavirus papain-like protease inhibits the TLR7 signaling pathway through removing Lys63-linked polyubiquitination of TRAF3 and TRAF6
Int. J. Mol. Sci.
17
678
2016
Severe acute respiratory syndrome-related coronavirus
brenda
Clemente, V.; DArcy, P.; Bazzaro, M.
Deubiquitinating enzymes in coronaviruses and possible therapeutic opportunities for COVID-19
Int. J. Mol. Sci.
21
3492
2020
Severe acute respiratory syndrome coronavirus 2
brenda
Amin, S.A.; Ghosh, K.; Gayen, S.; Jha, T.
Chemical-informatics approach to COVID-19 drug discovery Monte Carlo based QSAR, virtual screening and molecular docking study of some in-house molecules as papain-like protease (PLpro) inhibitors
J. Biomol. Struct. Dyn.
2020
1-10
2020
Severe acute respiratory syndrome coronavirus 2
brenda
Naidoo, D.; Roy, A.; Kar, P.; Mutanda, T.; Anandraj, A.
Cyanobacterial metabolites as promising drug leads against the Mpro and PLpro of SARS-CoV-2 an in silico analysis
J. Biomol. Struct. Dyn.
2020
1-13
2020
Severe acute respiratory syndrome coronavirus 2
brenda
Quimque, M.T.J.; Notarte, K.I.R.; Fernandez, R.A.T.; Mendoza, M.A.O.; Liman, R.A.D.; Lim, J.A.K.; Pilapil, L.A.E.; Ong, J.K.H.; Pastrana, A.M.; Khan, A.; Wei, D.Q.; Macabeo, A.P.G.
Virtual screening-driven drug discovery of SARS-CoV2 enzyme inhibitors targeting viral attachment, replication, post-translational modification and host immunity evasion infection mechanisms
J. Biomol. Struct. Dyn.
2020
1-18
2020
Severe acute respiratory syndrome coronavirus 2
brenda
Kandeel, M.; Abdelrahman, A.H.M.; Oh-Hashi, K.; Ibrahim, A.; Venugopala, K.N.; Morsy, M.A.; Ibrahim, M.A.A.
Repurposing of FDA-approved antivirals, antibiotics, anthelmintics, antioxidants, and cell protectives against SARS-CoV-2 papain-like protease
J. Biomol. Struct. Dyn.
2020
1-8
2020
Severe acute respiratory syndrome coronavirus 2
brenda
Park, J.; Ko, J.; Kim, D.; Kim, Y.; Kwon, H.; Jeong, H.; Kim, C.; Park, K.; Lee, W.; Ryu, Y.
Chalcones isolated from Angelica keiskei inhibit cysteine proteases of SARS-CoV
J. Enzyme Inhib. Med. Chem.
31
23-30
2016
Severe acute respiratory syndrome-related coronavirus
brenda
Bekes, M.; van der Heden van Noort, G.J.; Ekkebus, R.; Ovaa, H.; Huang, T.T.; Lima, C.D.
Recognition of Lys48-linked di-ubiquitin and deubiquitinating activities of the SARS coronavirus papain-like protease
Mol. Cell
62
572-585
2016
Severe acute respiratory syndrome-related coronavirus (P0C6X7), Severe acute respiratory syndrome-related coronavirus
brenda
Shin, D.; Mukherjee, R.; Grewe, D.; Bojkova, D.; Baek, K.; Bhattacharya, A.; Schulz, L.; Widera, M.; Mehdipour, A.R.; Tascher, G.; Geurink, P.P.; Wilhelm, A.; van der Heden van Noort, G.J.; Ovaa, H.; Mueller, S.; Knobeloch, K.P.; Rajalingam, K.; Schulman, B.A.; Cinatl, J.; Hummer, G.; Ciesek, S.; Dik, D.i.k.i.
Papain-like protease regulates SARS-CoV-2 viral spread and innate immunity
Nature
587
657-662
2020
Severe acute respiratory syndrome coronavirus 2
brenda
Ma-Lauer, Y.; Carbajo-Lozoya, J.; Hein, M.; Mueller, M.; Deng, W.; Lei, J.; Meyer, B.; Kusov, Y.; Von Brunn, B.; Bairad, D.; Huenten, S.; Drosten, C.; Hermeking, H.; Leonhardt, H.; Mann, M.; Hilgenfeld, R.; Von Brunn, A.
P53 down-regulates SARS coronavirus replication and is targeted by the SARS-unique domain and PLpro via E3 ubiquitin ligase RCHY1
Proc. Natl. Acad. Sci. USA
113
E5192-E5201
2016
Severe acute respiratory syndrome-related coronavirus
-
brenda
Reynolds, N.D.; Aceves, N.M.; Liu, J.L.; Compton, J.R.; Leary, D.H.; Freitas, B.T.; Pegan, S.D.; Doctor, K.Z.; Wu, F.Y.; Hu, X.; Legler, P.M.
The SARS-CoV-2 SSHHPS recognized by the papain-like protease
ACS Infect. Dis.
7
1483-1502
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
brenda
Sivakumar, D.; Stein, M.
Binding of SARS-CoV covalent non-covalent inhibitors to the SARS-CoV-2 papain-like protease and ovarian tumor domain deubiquitinases
Biomolecules
11
802
2021
Severe acute respiratory syndrome coronavirus 2
brenda
Shan, H.; Liu, J.; Shen, J.; Dai, J.; Xu, G.; Lu, K.; Han, C.; Wang, Y.; Xu, X.; Tong, Y.; Xiang, H.; Ai, Z.; Zhuang, G.; Hu, J.; Zhang, Z.; Li, Y.; Pan, L.; Tan, L.
Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2
Cell Chem. Biol.
28
855-865.e9
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
brenda
Patchett, S.; Lv, Z.; Rut, W.; Bekes, M.; Drag, M.; Olsen, S.K.; Huang, T.T.
A molecular sensor determines the ubiquitin substrate specificity of SARS-CoV-2 papain-like protease
Cell Rep.
36
109754
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
brenda
Pitsillou, E.; Liang, J.; Hung, A.; Karagiannis, T.C.
Inhibition of interferon-stimulated gene 15 and lysine 48-linked ubiquitin binding to the SARS-CoV-2 papain-like protease by small molecules In silico studies
Chem. Phys. Lett.
771
138468
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
brenda
Welker, A.; Kersten, C.; Mller, C.; Madhugiri, R.; Zimmer, C.; Mller, P.; Zimmermann, R.; Hammerschmidt, S.; Maus, H.; Ziebuhr, J.; Sotriffer, C.; Schirmeister, T.
Structure-activity relationships of benzamides and isoindolines designed as SARS-CoV protease inhibitors effective against SARS-CoV-2
ChemMedChem
16
340-354
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
brenda
Cho, C.C.; Li, S.G.; Lalonde, T.J.; Yang, K.S.; Yu, G.; Qiao, Y.; Xu, S.; Ray Liu, W.
Drug repurposing for the SARS-CoV-2 papain-like protease
ChemMedChem
17
e202100455
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
brenda
Verma, D.; Mitra, D.; Paul, M.; Chaudhary, P.; Kamboj, A.; Thatoi, H.; Janmeda, P.; Jain, D.; Panneerselvam, P.; Shrivastav, R.; Pant, K.; Das Mohapatra, P.K.
Potential inhibitors of SARS-CoV-2 (COVID 19) proteases PLpro and Mpro/3CLpro molecular docking and simulation studies of three pertinent medicinal plant natural components
Curr. Res. Pharmacol. Drug Discov.
2
100038
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
brenda
Huynh, T.; Cornell, W.; Luan, B.
In silico exploration of inhibitors for SARS-CoV-2s papain-like protease
Front. Chem.
8
624163
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
brenda
Xu, Y.; Chen, K.; Pan, J.; Lei, Y.; Zhang, D.; Fang, L.; Tang, J.; Chen, X.; Ma, Y.; Zheng, Y.; Zhang, B.; Zhou, Y.; Zhan, J.; Xu, W.
Repurposing clinically approved drugs for COVID-19 treatment targeting SARS-CoV-2 papain-like protease
Int. J. Biol. Macromol.
188
137-146
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
brenda
Stasiulewicz, A.; Maksymiuk, A.W.; Nguyen, M.L.; Belza, B.; Sulkowska, J.I.
SARS-CoV-2 papain-like protease potential inhibitors-in silico quantitative assessment
Int. J. Mol. Sci.
22
3957
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
brenda
Jamalan, M.; Barzegari, E.; Gholami-Borujeni, F.
Structure-based screening to discover new inhibitors for papain-like proteinase of SARS-CoV-2 an in silico study
J. Proteome Res.
20
1015-1026
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
brenda
Razali, R.; Asis, H.; Budiman, C.
Structure-function characteristics of Sars-cov-2 proteases and their potential inhibitors from microbial sources
Microorganisms
9
2481
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
brenda
Arya, R.; Prashar, V.; Kumar, M.
Evaluating stability and activity of SARS-CoV-2 PLpro for high-throughput screening of inhibitors
Mol. Biotechnol.
64
1-8
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
brenda
Bera, K.; Reeda, V.; Babila, P.; Dinesh, D.; Hritz, J.; Karthick, T.
An in silico molecular dynamics simulation study on the inhibitors of SARS-CoV-2 proteases (3CLpro and PLpro) to combat COVID-19
Mol. Simul.
47
1168-1184
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
-
brenda
Osipiuk, J.; Azizi, S.A.; Dvorkin, S.; Endres, M.; Jedrzejczak, R.; Jones, K.A.; Kang, S.; Kathayat, R.S.; Kim, Y.; Lisnyak, V.G.; Maki, S.L.; Nicolaescu, V.; Taylor, C.A.; Tesar, C.; Zhang, Y.A.; Zhou, Z.; Randall, G.; Michalska, K.; Snyder, S.A.; Dickinson, B.C.; Joachimiak, A.
Structure of papain-like protease from SARS-CoV-2 and its complexes with non-covalent inhibitors
Nat. Commun.
12
743
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
brenda
Li, L.; Ma, L.; Hu, Y.; Li, X.; Yu, M.; Shang, H.; Zou, Z.
Natural biflavones are potent inhibitors against SARS-CoV-2 papain-like protease
Phytochemistry
193
112984
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
brenda
Zhao, Y.; Du, X.; Duan, Y.; Pan, X.; Sun, Y.; You, T.; Han, L.; Jin, Z.; Shang, W.; Yu, J.; Guo, H.; Liu, Q.; Wu, Y.; Peng, C.; Wang, J.; Zhu, C.; Yang, X.; Yang, K.; Lei, Y.; Guddat, L.W.; Xu, W.; Xiao, G.; Sun, L.; Zhang, L.; Rao, Z.; Yang, H.
High-throughput screening identifies established drugs as SARS-CoV-2 PLpro inhibitors
Protein Cell
12
877-888
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
brenda
Mahmoudvand, S.; Shokri, S.
Interactions between SARS coronavirus 2 papain-like protease and immune system A potential drug target for the treatment of COVID-19
Scand. J. Immunol.
94
e13044
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1), Severe acute respiratory syndrome coronavirus 2
brenda
Weglarz-Tomczak, E.; Tomczak, J.M.; Talma, M.; Burda-Grabowska, M.; Giurg, M.; Brul, S.
Identification of ebselen and its analogues as potent covalent inhibitors of papain-like protease from SARS-CoV-2
Sci. Rep.
11
3640
2021
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
brenda
Ma, C.; Wang, J.
Validation and invalidation of SARS-CoV-2 papain-like protease inhibitors
ACS Pharmacol. Transl. Sci.
5
102-109
2022
Severe acute respiratory syndrome coronavirus 2, Severe acute respiratory syndrome coronavirus 2 BetaCoV/Wuhan/WIV04/2019
brenda
Cheng, Y.; Borum, R.; Clark, A.; Jin, Z.; Moore, C.; Fajtova, P.; ODonoghue, A.; Carlin, A.; Jokerst, J.
A dual-color fluorescent probe allows simultaneous imaging of main and papain-like proteases of SARS-CoV-2-infected cells for accurate detection and rapid inhibitor screening
Angew. Chem. Int. Ed. Engl.
61
e202113617
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
-
brenda
Kankariya, R.A.; Chaudhari, A.B.; Dandi, N.D.
Inhibitory efficacy of 2, 4-diacetylphloroglucinol against SARS-COV-2 proteins in silico study
Biologia
2022
1-14
2022
severe acute respiratory syndrome coronavirus (P0C6U8)
brenda
Sencanski, M.; Perovic, V.; Milicevic, J.; Todorovic, T.; Prodanovic, R.; Veljkovic, V.; Paessler, S.; Glisic, S.
Identification of SARS-CoV-2 papain-like protease (PLpro) inhibitors using combined computational approach
ChemistryOpen
11
e202100248
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
brenda
Tian, X.; Zhao, Q.; Chen, X.; Peng, Z.; Tan, X.; Wang, Q.; Chen, L.; Yang, Y.
Discovery of novel and highly potent inhibitors of SARS CoV-2 papain-like protease through structure-based pharmacophore modeling, virtual screening, molecular docking, molecular dynamics simulations, and biological evaluation
Front. Pharmacol.
13
817715
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
brenda
Zhang, L.C.; Zhao, H.L.; Liu, J.; He, L.; Yu, R.L.; Kang, C.M.
Design of SARS-CoV-2 Mpro, PLpro dual-target inhibitors based on deep reinforcement learning and virtual screening
Future Med. Chem.
14
393-405
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
brenda
Swargiary, A.; Mahmud, S.; Saleh, M.
Screening of phytochemicals as potent inhibitor of 3-chymotrypsin and papain-like proteases of SARS-CoV2 an in silico approach to combat COVID-19
J. Biomol. Struct. Dyn.
40
2067-2081
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
brenda
Bhattacharya, K.; Bordoloi, R.; Chanu, N.R.; Kalita, R.; Sahariah, B.J.; Bhattacharjee, A.
In silico discovery of 3 novel quercetin derivatives against papain-like protease, spike protein, and 3C-like protease of SARS-CoV-2
J. Gen. Eng. Biotechnol.
20
43
2022
Severe acute respiratory syndrome coronavirus 2 (P0C6U8)
brenda
Ghosh, Ak.; Takayama, J.; Aubin, Y.; Ratia, K.; Chaudhuri, R.; Baez, Y.; Sleeman, K.; Coughlin, M.; Nichols, D.B.; Mulhearn, D.C.; Prabhakar, B.S.; Baker, S.C.; Johnson, M.E.; Mesecar, A.D.
Structure-based design, synthesis, and biological evaluation of a series of novel and reversible inhibitors for the severe acute respiratory syndrome-coronavirus papain-like protease
J. Med. Chem.
52
5228-5240
2009
severe acute respiratory syndrome coronavirus
brenda
Ghosh, A.K.; Takayama, J.; Rao, K.V.; Ratia, K.; Chaudhuri, R.; Mulhearn, D.C.; Lee, H.; Nichols, D.B.; Baliji, S.; Baker, S.C.; Johnson, M.E.; Mesecar, A.D.
Severe acute respiratory syndrome coronavirus papain-like novel protease inhibitors design, synthesis, protein-ligand X-ray structure and biological evaluation
J. Med. Chem.
53
4968-4979
2010
severe acute respiratory syndrome coronavirus
brenda
Baez-Santos, Y.M.; Barraza, S.J.; Wilson, M.W.; Agius, M.P.; Mielech, A.M.; Davis, N.M.; Baker, S.C.; Larsen, S.D.; Mesecar, A.D.
X-ray structural and biological evaluation of a series of potent and highly selective inhibitors of human coronavirus papain-like proteases
J. Med. Chem.
57
2393-412
2014
severe acute respiratory syndrome coronavirus
brenda
Liu, N.; Zhang, Y.; Lei, Y.; Wang, R.; Zhan, M.; Liu, J.; An, Y.; Zhou, Y.; Zhan, J.; Yin, F.; Li, Z.
Design and evaluation of a novel peptide-drug conjugate covalently targeting SARS-CoV-2 papain-like protease
J. Med. Chem.
65
876-884
2022
severe acute respiratory syndrome coronavirus, Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
brenda
Amin, S.; Ghosh, K.; Singh, S.; Qureshi, I.; Jha, T.; Gayen, S.
Exploring naphthyl derivatives as SARS-CoV papain-like protease (PLpro) inhibitors and its implications in COVID-19 drug discovery
Mol. Divers.
26
215-228
2022
Severe acute respiratory syndrome coronavirus 2
brenda
Rao, P.; Patel, R.; Shukla, A.; Parmar, P.; Rawal, R.; Saraf, M.; Goswami, D.
Identifying structural-functional analogue of GRL0617, the only well-established inhibitor for papain-like protease (PLpro) of SARS-CoV2 from the pool of fungal metabolites using docking and molecular dynamics simulation
Mol. Divers.
26
309-329
2022
severe acute respiratory syndrome coronavirus (P0C6U8), Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
brenda
Suleimen, Y.M.; Jose, R.A.; Suleimen, R.N.; Arenz, C.; Ishmuratova, M.; Toppet, S.; Dehaen, W.; Alsfouk, A.A.; Elkaeed, E.B.; Eissa, I.H.; Metwaly, A.M.
Isolation and in silico anti-SARS-CoV-2 papain-like protease potentialities of two rare 2-phenoxychromone derivatives from Artemisia spp
Molecules
27
1216
2022
severe acute respiratory syndrome coronavirus (P0C6U8)
brenda
Phong, N.V.; Trang, N.M.; Quyen, C.T.; Anh, H.L.T.; Vinh, L.B.
SARS-CoV-2 main protease and papain-like protease inhibition by abietane-type diterpenes isolated from the branches of Glyptostrobus pensilis using molecular docking studies
Nat. Prod. Res.
2022
1-8
2022
Severe acute respiratory syndrome coronavirus 2 (P0DTD1)
brenda
Ratia, K.; Pegan, S.; Takayama, J.; Sleeman, K.; Coughlin, M.; Baliji, S.; Chaudhuri, R.; Fu, W.; Prabhakar, B.S.; Johnson, M.E.; Baker, S.C.; Ghosh, A.K.; Mesecar, A.D.
A noncovalent class of papain-like protease/deubiquitinase inhibitors blocks SARS virus replication
Proc. Natl. Acad. Sci. USA
105
16119-16124
2008
severe acute respiratory syndrome coronavirus
brenda
Lewis, D.S.M.; Ho, J.; Wills, S.; Kawall, A.; Sharma, A.; Chavada, K.; Ebert, M.C.C.J.C.; Evoli, S.; Singh, A.; Rayalam, S.; Mody, V.; Taval, S.
Aloin isoforms (A and B) selectively inhibits proteolytic and deubiquitinating activity of papain like protease (PLpro) of SARS-CoV-2 in vitro
Sci. Rep.
12
2145
2022
Severe acute respiratory syndrome coronavirus 2
brenda